[med-svn] r7349 - in trunk/packages/mgltools/autodocktools/trunk/debian: . patches

[Steffen Möller]

Author: moeller
Date: 2011-07-30 00:30:20 +0000 (Sat, 30 Jul 2011)
New Revision: 7349

Modified:
   trunk/packages/mgltools/autodocktools/trunk/debian/changelog
   trunk/packages/mgltools/autodocktools/trunk/debian/control
   trunk/packages/mgltools/autodocktools/trunk/debian/patches/series
   trunk/packages/mgltools/autodocktools/trunk/debian/rules
   trunk/packages/mgltools/autodocktools/trunk/debian/upstream-metadata.yaml
Log:
Preparing for AutoLigand.


Modified: trunk/packages/mgltools/autodocktools/trunk/debian/changelog
===================================================================
--- trunk/packages/mgltools/autodocktools/trunk/debian/changelog	2011-07-29 10:16:52 UTC (rev 7348)
+++ trunk/packages/mgltools/autodocktools/trunk/debian/changelog	2011-07-30 00:30:20 UTC (rev 7349)
@@ -1,7 +1,8 @@
 autodocktools (1.5.6~rc1+cvs.20110617-2) UNRELEASED; urgency=low
 
   * New upload (lp: #623984)
-  * Added recommends on mgltools-cadd.
+  * Added suggests on mgltools-cadd.
+  * Explicitly mentioning the tool AutoLigand. Further work needed.
 
  -- Steffen Moeller <moeller at debian.org>  Fri, 17 Jun 2011 01:20:14 +0200
 

Modified: trunk/packages/mgltools/autodocktools/trunk/debian/control
===================================================================
--- trunk/packages/mgltools/autodocktools/trunk/debian/control	2011-07-29 10:16:52 UTC (rev 7348)
+++ trunk/packages/mgltools/autodocktools/trunk/debian/control	2011-07-30 00:30:20 UTC (rev 7349)
@@ -19,8 +19,8 @@
 Architecture: all
 Depends: ${misc:Depends}, ${python:Depends}, mgltools-pmv, mgltools-molkit,
  mgltools-volume, mgltools-support, python-imaging-tk, mgltools-viewerframework
-Recommends: mgltools-pyautodock, mgltools-utpackages, mgltools-cadd
-Suggests: autodock, autodock-vina, ballview
+Recommends: mgltools-pyautodock, mgltools-utpackages
+Suggests: autodock, autodock-vina, ballview, mgltools-cadd
 Description: GUI to help set up, launch and analyze AutoDock dockings
  This package is part of the mgltools set of Python libraries which
  provide an infrastructure for the analysis of protein structures and
@@ -31,3 +31,7 @@
  bind to a particular protein at hand. This package provides a graphical
  user interface that is helping with the preparation of the protein
  for such analyses.
+ .
+ The tool AutoLigand, which may help to constrain the location of the
+ binding pocket for yet undescribed proteins,  is accompanying the
+ main executable 'runAdt'.

Modified: trunk/packages/mgltools/autodocktools/trunk/debian/patches/series
===================================================================
--- trunk/packages/mgltools/autodocktools/trunk/debian/patches/series	2011-07-29 10:16:52 UTC (rev 7348)
+++ trunk/packages/mgltools/autodocktools/trunk/debian/patches/series	2011-07-30 00:30:20 UTC (rev 7349)
@@ -1 +1,2 @@
+missingShebankPythonTools.patch
 fix_python_path.patch

Modified: trunk/packages/mgltools/autodocktools/trunk/debian/rules
===================================================================
--- trunk/packages/mgltools/autodocktools/trunk/debian/rules	2011-07-29 10:16:52 UTC (rev 7348)
+++ trunk/packages/mgltools/autodocktools/trunk/debian/rules	2011-07-30 00:30:20 UTC (rev 7349)
@@ -16,7 +16,7 @@
 	find debian -name runAdt -exec chmod +x \{\} \;
 	find debian -name adt -exec chmod +x \{\} \;
 	# remove extra interpreter line
-	find debian -name runAdt -type f -exec sed -i 's?#!/usr/bin/env python2.4?#!/usr/bin/python?' \{\} \;
+	find debian \( -name runAdt -o AutoLigand.py \) -a  -type f -exec sed -i 's?#!/usr/bin/env python2.4?#!/usr/bin/python?' \{\} \;
 	find debian -name LICENSE -delete
 
 override_dh_clean:

Modified: trunk/packages/mgltools/autodocktools/trunk/debian/upstream-metadata.yaml
===================================================================
--- trunk/packages/mgltools/autodocktools/trunk/debian/upstream-metadata.yaml	2011-07-29 10:16:52 UTC (rev 7348)
+++ trunk/packages/mgltools/autodocktools/trunk/debian/upstream-metadata.yaml	2011-07-30 00:30:20 UTC (rev 7349)
@@ -12,5 +12,13 @@
  Pages: 2785-2791
  Year: 2009
  URL: http://www3.interscience.wiley.com/journal/122365050/abstract
+Reference:
+ Author: Harris R, Olson AJ, Goodsell DS.
+ Title: Automated prediction of ligand-binding sites in proteins.
+ Journal: Proteins
+ Year: 2008
+ Volume: 70
+ Number: 4
+ Pages: 1506-1517
 Registration: http://autodock.scripps.edu/downloads/autodock-registration
 Watch: http://mgltools.scripps.edu/downloads/.*mgltools_source_([0-9.]+)\.tar\.gz